Unclassified Organic Compounds

Organic compounds that do not fit into any other organic chemical classification.

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1,051 – 1,065 of 162,845 results

1,051

Methyl 3,4,5-trihydroxybenzoate, 99%

CAS: 99-24-1 Molecular Formula: C₈H₈O₅ Molecular Weight (g/mol): 184.15 MDL Number: MFCD00002194 InChI Key: FBSFWRHWHYMIOG-UHFFFAOYSA-N Synonym: methyl gallate,gallic acid methyl ester,methylgallate,benzoic acid, 3,4,5-trihydroxy-, methyl ester,gallic acid, methyl ester,methyl galloate,unii-623d3xg80c,ccris 5567,3,4,5-trihydroxybenzoic acid methyl ester,chembl65675 PubChem CID: 7428 IUPAC Name: methyl 3,4,5-trihydroxybenzoate SMILES: COC(=O)C1=CC(=C(C(=C1)O)O)O

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Specifications

PubChem CID	7428
CAS	99-24-1
Molecular Weight (g/mol)	184.15
MDL Number	MFCD00002194
SMILES	COC(=O)C1=CC(=C(C(=C1)O)O)O
Synonym	methyl gallate,gallic acid methyl ester,methylgallate,benzoic acid, 3,4,5-trihydroxy-, methyl ester,gallic acid, methyl ester,methyl galloate,unii-623d3xg80c,ccris 5567,3,4,5-trihydroxybenzoic acid methyl ester,chembl65675
IUPAC Name	methyl 3,4,5-trihydroxybenzoate
InChI Key	FBSFWRHWHYMIOG-UHFFFAOYSA-N
Molecular Formula	C₈H₈O₅

1,052

5-Methylcyclohexane-1,3-dione, 98%

CAS: 4341-24-6 Molecular Formula: C7H10O2 Molecular Weight (g/mol): 126.155 MDL Number: MFCD00010379 InChI Key: DMIIMPQQPXUKOO-UHFFFAOYSA-N PubChem CID: 458095 IUPAC Name: 5-methylcyclohexane-1,3-dione SMILES: CC1CC(=O)CC(=O)C1

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Specifications

PubChem CID	458095
CAS	4341-24-6
Molecular Weight (g/mol)	126.155
MDL Number	MFCD00010379
SMILES	CC1CC(=O)CC(=O)C1
IUPAC Name	5-methylcyclohexane-1,3-dione
InChI Key	DMIIMPQQPXUKOO-UHFFFAOYSA-N
Molecular Formula	C7H10O2

1,053

(S)-(+)-2-Phenylglycine methyl ester hydrochloride, 97%

CAS: 15028-39-4 Molecular Formula: C₉H₁₁NO₂·ClH Molecular Weight (g/mol): 201.65 InChI Key: DTHMTBUWTGVEFG-QRPNPIFTSA-N Synonym: h-phg-ome.hcl,s-methyl 2-amino-2-phenylacetate hydrochloride,s-+-2-phenylglycine methyl ester hydrochloride,s-2-phenylglycine methyl ester hydrochloride,aminophenylacetic acid methyl ester,h-phg-ome hydrochloride,h-phg-ome hcl,d---alpha-phenylglycine methyl ester hydrochloride,methyl 2s-2-amino-2-phenylacetate hydrochloride,d-phenylglycine methyl ester hydrochloride PubChem CID: 11217910 IUPAC Name: methyl (2S)-2-amino-2-phenylacetate;hydrochloride SMILES: COC(=O)C(C1=CC=CC=C1)N.Cl

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Specifications

PubChem CID	11217910
CAS	15028-39-4
Molecular Weight (g/mol)	201.65
SMILES	COC(=O)C(C1=CC=CC=C1)N.Cl
Synonym	h-phg-ome.hcl,s-methyl 2-amino-2-phenylacetate hydrochloride,s-+-2-phenylglycine methyl ester hydrochloride,s-2-phenylglycine methyl ester hydrochloride,aminophenylacetic acid methyl ester,h-phg-ome hydrochloride,h-phg-ome hcl,d---alpha-phenylglycine methyl ester hydrochloride,methyl 2s-2-amino-2-phenylacetate hydrochloride,d-phenylglycine methyl ester hydrochloride
IUPAC Name	methyl (2S)-2-amino-2-phenylacetate;hydrochloride
InChI Key	DTHMTBUWTGVEFG-QRPNPIFTSA-N
Molecular Formula	C₉H₁₁NO₂·ClH

1,054

Thermo Scientific Chemicals D-Fructose 1,6-bisphosphate trisodium salt octahydrate, 98%

CAS: 81028-91-3 Molecular Formula: C6H26Na3O20P2 Molecular Weight (g/mol): 549.17 MDL Number: MFCD00149340,MFCD00135870,MFCD00068321 InChI Key: DBTJWGHAMYSWQR-OLMHPWOBSA-J Synonym: FDP-Na3H IUPAC Name: trisodium octahydrate [(3S,4S,5R)-2,3,4-trihydroxy-5-[(phosphonatooxy)methyl]oxolan-2-yl]methyl phosphate SMILES: O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+].O[C@H]1[C@H](O)C(O)(COP([O-])([O-])=O)O[C@@H]1COP([O-])([O-])=O

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Specifications

CAS	81028-91-3
Molecular Weight (g/mol)	549.17
MDL Number	MFCD00149340,MFCD00135870,MFCD00068321
SMILES	O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+].O[C@H]1[C@H](O)C(O)(COP([O-])([O-])=O)O[C@@H]1COP([O-])([O-])=O
Synonym	FDP-Na3H
IUPAC Name	trisodium octahydrate [(3S,4S,5R)-2,3,4-trihydroxy-5-[(phosphonatooxy)methyl]oxolan-2-yl]methyl phosphate
InChI Key	DBTJWGHAMYSWQR-OLMHPWOBSA-J
Molecular Formula	C6H26Na3O20P2

1,055

2-Benzylcyclohexanone, 97%

CAS: 946-33-8 Molecular Formula: C13H16O Molecular Weight (g/mol): 188.27 MDL Number: MFCD00051455 InChI Key: CUYLPYBYCYQGCE-UHFFFAOYSA-N Synonym: 2-benzylcyclohexanone,cyclohexanone, 2-phenylmethyl,2-benzyl cyclohexanone,2-benzyl-cyclohexan-1-one,2-phenylmethyl cyclohexanone,cyclohexanone,2-phenylmethyl,2rs-2-phenylmethylcyclohexanone PubChem CID: 98945 IUPAC Name: 2-benzylcyclohexan-1-one SMILES: C1CCC(=O)C(C1)CC2=CC=CC=C2

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Specifications

PubChem CID	98945
CAS	946-33-8
Molecular Weight (g/mol)	188.27
MDL Number	MFCD00051455
SMILES	C1CCC(=O)C(C1)CC2=CC=CC=C2
Synonym	2-benzylcyclohexanone,cyclohexanone, 2-phenylmethyl,2-benzyl cyclohexanone,2-benzyl-cyclohexan-1-one,2-phenylmethyl cyclohexanone,cyclohexanone,2-phenylmethyl,2rs-2-phenylmethylcyclohexanone
IUPAC Name	2-benzylcyclohexan-1-one
InChI Key	CUYLPYBYCYQGCE-UHFFFAOYSA-N
Molecular Formula	C13H16O

1,056

Bis(dibenzylideneacetone)palladium(0)

CAS: 32005-36-0 Molecular Formula: C34H28O2Pd Molecular Weight (g/mol): 575.02 MDL Number: MFCD00051942 InChI Key: UKSZBOKPHAQOMP-SVLSSHOZSA-N Synonym: bis dibenzylideneacetone palladium,bis dibenzylideneacetone palladium 0,pd dba 2,1e,4e-1,5-diphenylpenta-1,4-dien-3-one; palladium,bis dibenzyldeneacetone palladium 0,tris dibenzylideneacetone dipalladium o,palladium 0 bis dibenzylideneacetone,pubchem14428 PubChem CID: 6505921 IUPAC Name: (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium SMILES: [Pd].O=C(\C=C\C1=CC=CC=C1)/C=C/C1=CC=CC=C1.O=C(\C=C\C1=CC=CC=C1)/C=C/C1=CC=CC=C1

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Specifications

PubChem CID	6505921
CAS	32005-36-0
Molecular Weight (g/mol)	575.02
MDL Number	MFCD00051942
SMILES	[Pd].O=C(\C=C\C1=CC=CC=C1)/C=C/C1=CC=CC=C1.O=C(\C=C\C1=CC=CC=C1)/C=C/C1=CC=CC=C1
Synonym	bis dibenzylideneacetone palladium,bis dibenzylideneacetone palladium 0,pd dba 2,1e,4e-1,5-diphenylpenta-1,4-dien-3-one; palladium,bis dibenzyldeneacetone palladium 0,tris dibenzylideneacetone dipalladium o,palladium 0 bis dibenzylideneacetone,pubchem14428
IUPAC Name	(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium
InChI Key	UKSZBOKPHAQOMP-SVLSSHOZSA-N
Molecular Formula	C34H28O2Pd

1,057

Uridine-5'-diphosphogalactose Disodium Salt, MP Biomedicals™

CAS: 137868-52-1 MDL Number: MFCD00077895 InChI Key: PKJQEQVCYGYYMM-UHFFFAOYNA-L Synonym: UDPG,UDP-Galactose IUPAC Name: disodium [5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl {[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl phosphonato]oxy}phosphonate SMILES: [Na+].[Na+].OCC1OC(OP([O-])(=O)OP([O-])(=O)OCC2OC(C(O)C2O)N2C=CC(=O)NC2=O)C(O)C(O)C1O

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Specifications

CAS	137868-52-1
MDL Number	MFCD00077895
SMILES	[Na+].[Na+].OCC1OC(OP([O-])(=O)OP([O-])(=O)OCC2OC(C(O)C2O)N2C=CC(=O)NC2=O)C(O)C(O)C1O
Synonym	UDPG,UDP-Galactose
IUPAC Name	disodium [5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl {[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl phosphonato]oxy}phosphonate
InChI Key	PKJQEQVCYGYYMM-UHFFFAOYNA-L

1,058

Thermo Scientific Chemicals ADA, 98+%

CAS: 26239-55-4 Molecular Formula: C6H10N2O5 Molecular Weight (g/mol): 190.155 MDL Number: MFCD00008031 InChI Key: QZTKDVCDBIDYMD-UHFFFAOYSA-N Synonym: n-2-acetamido iminodiacetic acid,2,2'-2-amino-2-oxoethyl azanediyl diacetic acid,carbamoylmethylaminodiacetic acid,ada,2,2'-2-amino-2-oxoethyl imino diacetic acid,n-carbamoylmethyl iminodiacetic acid,glycine, n-2-amino-2-oxoethyl-n-carboxymethyl,n-carbamoylmethyliminodi acetic acid,unii-5c4r3o704e PubChem CID: 117765 ChEBI: CHEBI:43960 IUPAC Name: 2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]acetic acid SMILES: C(C(=O)N)N(CC(=O)O)CC(=O)O

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Specifications

PubChem CID	117765
CAS	26239-55-4
Molecular Weight (g/mol)	190.155
ChEBI	CHEBI:43960
MDL Number	MFCD00008031
SMILES	C(C(=O)N)N(CC(=O)O)CC(=O)O
Synonym	n-2-acetamido iminodiacetic acid,2,2'-2-amino-2-oxoethyl azanediyl diacetic acid,carbamoylmethylaminodiacetic acid,ada,2,2'-2-amino-2-oxoethyl imino diacetic acid,n-carbamoylmethyl iminodiacetic acid,glycine, n-2-amino-2-oxoethyl-n-carboxymethyl,n-carbamoylmethyliminodi acetic acid,unii-5c4r3o704e
IUPAC Name	2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]acetic acid
InChI Key	QZTKDVCDBIDYMD-UHFFFAOYSA-N
Molecular Formula	C6H10N2O5

1,059

Riboflavin-5'-phosphate sodium salt dihydrate, 73.0% min.

CAS: 6184-17-4 Molecular Formula: C17H24N4NaO11P Molecular Weight (g/mol): 514.36 MDL Number: MFCD00150993 InChI Key: LQVGUKOCMOKKJU-FTNKLFHDNA-M Synonym: riboflavin 5'-monophosphate sodium salt dihydrate PubChem CID: 131856174 IUPAC Name: [(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] dihydrogen phosphate;sodium;dihydrate SMILES: O.O.[Na+].CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)COP(O)([O-])=O)C3=NC(=O)NC(=O)C3=NC2=C1

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Specifications

PubChem CID	131856174
CAS	6184-17-4
Molecular Weight (g/mol)	514.36
MDL Number	MFCD00150993
SMILES	O.O.[Na+].CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)COP(O)([O-])=O)C3=NC(=O)NC(=O)C3=NC2=C1
Synonym	riboflavin 5'-monophosphate sodium salt dihydrate
IUPAC Name	[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] dihydrogen phosphate;sodium;dihydrate
InChI Key	LQVGUKOCMOKKJU-FTNKLFHDNA-M
Molecular Formula	C17H24N4NaO11P

1,060

2-Oxocyclohexanepropionitrile, 99%

CAS: 4594-78-9 Molecular Formula: C9H13NO Molecular Weight (g/mol): 151.21 MDL Number: MFCD00013797 InChI Key: SPTVCXKSSRBTMN-UHFFFAOYNA-N Synonym: 3-2-oxocyclohexyl propanenitrile,2-2-cyanoethyl cyclohexanone,cyclohexanepropanenitrile, 2-oxo,2-2-cyanethyl cyclohexanone,2-oxo-1-cyclohexanepropionitrile,cyclohexanepropionitrile, 2-oxo,2-oxocyclohexanepropionitrile,2-.beta.-cyanoethyl cyclohexanone,2-b-cyanoethyl cyclohexanone,2-oxocyclohexanepropiononitrile PubChem CID: 96223 IUPAC Name: 3-(2-oxocyclohexyl)propanenitrile SMILES: O=C1CCCCC1CCC#N

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Specifications

PubChem CID	96223
CAS	4594-78-9
Molecular Weight (g/mol)	151.21
MDL Number	MFCD00013797
SMILES	O=C1CCCCC1CCC#N
Synonym	3-2-oxocyclohexyl propanenitrile,2-2-cyanoethyl cyclohexanone,cyclohexanepropanenitrile, 2-oxo,2-2-cyanethyl cyclohexanone,2-oxo-1-cyclohexanepropionitrile,cyclohexanepropionitrile, 2-oxo,2-oxocyclohexanepropionitrile,2-.beta.-cyanoethyl cyclohexanone,2-b-cyanoethyl cyclohexanone,2-oxocyclohexanepropiononitrile
IUPAC Name	3-(2-oxocyclohexyl)propanenitrile
InChI Key	SPTVCXKSSRBTMN-UHFFFAOYNA-N
Molecular Formula	C9H13NO

1,061

4-(Methanesulfonamido)benzoic acid, Thermo Scientific™

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Specifications

Molecular Weight (g/mol)	215.23
Color	White to Yellow
Physical Form	Powder
Chemical Name or Material	4-(Methanesulfonamido)benzoic acid
CAS	7151-76-0
Infrared Spectrum	Conforms
MDL Number	00025052
Health Hazard 2	Exclamation mark
Packaging	Glass bottle
Health Hazard 1	Corrosion
Alpha Vector	METHANESULFONAMIDOBENZOICACID
Synonym	4-[(Methylsulfonyl)amino]benzoic acid
Recommended Storage	Normal conditions
Shelf Life	5 years
Molecular Formula	C8 H9 N O4 S

1,062

Leupeptin Trifluoroacetate Salt, MP Biomedicals

CAS: 147385-61-3 Molecular Formula: C22H39F3N6O6 Molecular Weight (g/mol): 540.59 MDL Number: MFCD00133458 InChI Key: WUHGBZVQELGOMH-UHFFFAOYNA-N Synonym: leupeptin trifluoroacetate salt,n-5-carbamimidamido-1-oxopentan-2-yl-2-2-acetamido-4-methylpentanamido-4-methylpentanamide; trifluoroacetic acid,trifluoroacetic acid-n-acetylleucyl-n-5-diaminomethylidene amino-1-oxopentan-2-yl leucinamide 1/1 PubChem CID: 44134799 IUPAC Name: N-{5-[(diaminomethylidene)amino]-1-oxopentan-2-yl}-2-(2-acetamido-4-methylpentanamido)-4-methylpentanamide; trifluoroacetic acid SMILES: OC(=O)C(F)(F)F.CC(C)CC(NC(C)=O)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C=O

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Specifications

PubChem CID	44134799
CAS	147385-61-3
Molecular Weight (g/mol)	540.59
MDL Number	MFCD00133458
SMILES	OC(=O)C(F)(F)F.CC(C)CC(NC(C)=O)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C=O
Synonym	leupeptin trifluoroacetate salt,n-5-carbamimidamido-1-oxopentan-2-yl-2-2-acetamido-4-methylpentanamido-4-methylpentanamide; trifluoroacetic acid,trifluoroacetic acid-n-acetylleucyl-n-5-diaminomethylidene amino-1-oxopentan-2-yl leucinamide 1/1
IUPAC Name	N-{5-[(diaminomethylidene)amino]-1-oxopentan-2-yl}-2-(2-acetamido-4-methylpentanamido)-4-methylpentanamide; trifluoroacetic acid
InChI Key	WUHGBZVQELGOMH-UHFFFAOYNA-N
Molecular Formula	C22H39F3N6O6

1,063

1,4,7-Tris(tert-butoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane

CAS: 122555-91-3 Molecular Formula: C26H50N4O6 Molecular Weight (g/mol): 514.708 MDL Number: MFCD05865261 InChI Key: NMHVTLJFPDOJOD-UHFFFAOYSA-N Synonym: do3a tert-butyl ester,tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7-triacetate,do3a-t-bu-ester,tri-t-butyl 1 4 7 10-tetraazacyclododeca,1,4,7-tris tert-butoxycarbonylmethyl-1,4,7,10-tetraazacyclododecane,1,4,7,10-tetraazacyclododecane-1,4,7-triacetic acid tri-tert-butyl ester,tri-tert-butyl 2,2',2-1,4,7,10-tetraazacyclododecane-1,4,7-triyl triacetate,do3atbu,do3a-tbu-ester,acmc-209al8 PubChem CID: 11237632 IUPAC Name: tert-butyl 2-[4,7-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate SMILES: CC(C)(C)OC(=O)CN1CCNCCN(CCN(CC1)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C

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Specifications

PubChem CID	11237632
CAS	122555-91-3
Molecular Weight (g/mol)	514.708
MDL Number	MFCD05865261
SMILES	CC(C)(C)OC(=O)CN1CCNCCN(CCN(CC1)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C
Synonym	do3a tert-butyl ester,tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7-triacetate,do3a-t-bu-ester,tri-t-butyl 1 4 7 10-tetraazacyclododeca,1,4,7-tris tert-butoxycarbonylmethyl-1,4,7,10-tetraazacyclododecane,1,4,7,10-tetraazacyclododecane-1,4,7-triacetic acid tri-tert-butyl ester,tri-tert-butyl 2,2',2-1,4,7,10-tetraazacyclododecane-1,4,7-triyl triacetate,do3atbu,do3a-tbu-ester,acmc-209al8
IUPAC Name	tert-butyl 2-[4,7-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
InChI Key	NMHVTLJFPDOJOD-UHFFFAOYSA-N
Molecular Formula	C26H50N4O6

1,064

Thermo Scientific Chemicals Phenolphthalein disulfate tripotassium salt hydrate, 98%

CAS: 62625-16-5 Molecular Formula: C20H13K3O11S2 Molecular Weight (g/mol): 610.73 MDL Number: MFCD00150194 InChI Key: PLHSVCWOEHYSHO-UHFFFAOYSA-K Synonym: phenolphthalein disulfate potassium salt,phenolphthalein disulfate tripotassium salt hydrate PubChem CID: 129893851 SMILES: [K+].[K+].[K+].OC(C1=CC=C(OS([O-])(=O)=O)C=C1)(C1=CC=C(OS([O-])(=O)=O)C=C1)C1=CC=CC=C1C([O-])=O

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Specifications

PubChem CID	129893851
CAS	62625-16-5
Molecular Weight (g/mol)	610.73
MDL Number	MFCD00150194
SMILES	[K+].[K+].[K+].OC(C1=CC=C(OS([O-])(=O)=O)C=C1)(C1=CC=C(OS([O-])(=O)=O)C=C1)C1=CC=CC=C1C([O-])=O
Synonym	phenolphthalein disulfate potassium salt,phenolphthalein disulfate tripotassium salt hydrate
InChI Key	PLHSVCWOEHYSHO-UHFFFAOYSA-K
Molecular Formula	C20H13K3O11S2

1,065

Nicotinamide Impurity E, Certified Reference Material, MilliporeSigma™ Supelco™

Pharmaceutical secondary standards for application in quality control provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards

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